Crystallography Open Database

Information card for entry 7703195

Preview

Coordinates	7703195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H22 Au N4 P S2
Calculated formula	C13 H22 Au N4 P S2
SMILES	[Au](Sc1sc2c(n1)cccc2)[P](N(C)C)(N(C)C)N(C)C
Title of publication	New selective thiolate gold(i) complexes inhibit the proliferation of different human cancer cells and induce apoptosis in primary cultures of mouse colon tumors.
Authors of publication	Abas, Elisa; Pena-Martinez, Raquel; Aguirre-Ramírez, Diego; Rodriguez-Dieguez, Antonio; Laguna, Mariano; Grasa, Laura
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	6
Pages of publication	1915 - 1927
a	7.7454 ± 0.0002 Å
b	13.1136 ± 0.0003 Å
c	18.2077 ± 0.0005 Å
α	90°
β	107.215 ± 0.002°
γ	90°
Cell volume	1766.51 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7703195.cif
248952	2020-03-05	cif/ Updating files of 7703194, 7703195 Original log message: Adding full bibliography for 7703194--7703195.cif.	7703195.cif
246525	2020-01-04	cif/ Adding structures of 7703194, 7703195 via cif-deposit CGI script.	7703195.cif